disodium 5-[[3-[[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]sulfonyl]-4-methoxy-phenyl]carbonylamino]-2-[(E)-2-[4-[[3-[[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]sulfonyl]-4-methoxy-phenyl]carbonylamino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate

Systemtic Name: disodium 5-[[3-[[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]sulfonyl]-4-methoxy-phenyl]carbonylamino]-2-[(E)-2-[4-[[3-[[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]sulfonyl]-4-methoxy-phenyl]carbonylamino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate Openeye Name: disodium 5-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-4-methoxy-benzoyl]amino]-2-[(E)-2-[4-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-4-methoxy-benzoyl]amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate CAS Name: disodium 5-[[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-4-methoxyphenyl]-oxomethyl]amino]-2-[(E)-2-[4-[[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-4-methoxyphenyl]-oxomethyl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate IUPAC Name: disodium 5-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-4-methoxybenzoyl]amino]-2-[(E)-2-[4-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-4-methoxybenzoyl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate Traditional Name: disodium 5-[[3-[(1,1-diketo-1,4-thiazinan-4-yl)sulfonyl]-4-methoxy-benzoyl]amino]-2-[(E)-2-[4-[[3-[(1,1-diketo-1,4-thiazinan-4-yl)sulfonyl]-4-methoxy-benzoyl]amino]-2-sulfonato-phenyl]vinyl]besylate Formula: C38H38N4Na2O18S6 MolecularWeight: 1077.09386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC(=O)C4=CC(=C(C=C4)OC)S(=O)(=O)N5CCS(=O)(=O)CC5)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)N6CCS(=O)(=O)CC6.[Na+].[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)NC(=O)C4=CC(=C(C=C4)OC)S(=O)(=O)N5CCS(=O)(=O)CC5)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)N6CCS(=O)(=O)CC6.[Na+].[Na+]

InChI

InChI=1S/C38H40N4O18S6.2Na/c1-59-31-11-7-27(21-35(31)63(49,50)41-13-17-61(45,46)18-14-41)37(43)39-29-9-5-25(33(23-29)65(53,54)55)3-4-26-6-10-30(24-34(26)66(56,57)58)40-38(44)28-8-12-32(60-2)36(22-28)64(51,52)42-15-19-62(47,48)20-16-42;;/h3-12,21-24H,13-20H2,1-2H3,(H,39,43)(H,40,44)(H,53,54,55)(H,56,57,58);;/q;2*+1/p-2/b4-3+;;